Methyl bromoacetate

Overview IFRA Request a quote

  • Identifiers

    CAS number
    96-32-2

    Molecular formula
    C3H5BrO2

    SMILES
    COC(=O)CBr

    Safety labels

    Corrosive
    Corrosive

    Acute Toxic
    Acute Toxic

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Fruity 74.35%
    Ethereal 53.45%
    Caramellic 43.65%
    Winey 40.54%
    Green 37.39%
    Sweet 35.9%
    Rummy 34.29%
    Fermented 33.53%
    Buttery 31.59%
    Sharp 31.34%

     

    Flavor
    Fruity 65.34%
    Cheese 34.44%
    Sweet 29.33%
    Tropical 27.53%
    Pineapple 26.83%
    Fatty 26.25%
    Cooked 24.7%
    Sulfury 24.56%
    Strawberry 24.43%
    Creamy 24.37%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    0.9

    pKa est.
    6.17 (neutral)

    Molecular weight
    152.97 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Melting point expt.

    • Freezing point: -50 °C

    Boiling point

    • 141 °C
    • BP: 145.0-146.7 °C
    • BP: 51-52 °C at 15 mm Hg

    Flash point

    • 48.69 ˚C est.

    Solubility expt.

    • Soluble in ethanol, ether, acetone, benzene

  • Synonyms

    • Methyl bromoacetate
    • 96-32-2
    • methyl 2-bromoacetate
    • Bromoacetic acid methyl ester
    • Methyl monobromoacetate
    • ACETIC ACID, BROMO-, METHYL ESTER
    • Methyl alpha-bromoacetate
    • NSC 2642
    • Acetic acid, 2-bromo-, methyl ester
    • Methylester kyseliny bromoctove
    • 2-bromoacetic acid methyl ester
    • Methyl .alpha.-bromoacetate
    • EINECS 202-499-2
    • UN2643
    • Methylester kyseliny bromoctove [Czech]
    • LI6481MCM6
    • Methyl-2-bromoacetate
    • methyl 2-bromoethanoate
    • carbomethoxymethyl bromide
    • UNII-LI6481MCM6
    • bromo-acetic acid methyl ester
    • DTXSID7052737
    • HSDB 8463
    • METHYL.ALPHA.-BROMOACETATE
    • EC 202-499-2
    • UN 2643
    • methylbromacetate
    • methylbromoacetat
    • methyl bromacetate
    • methvl bromoacetate
    • methyl-bromoacetate
    • methylbromo-acetate
    • methyl brornoacetate
    • methyl -bromoacetate
    • methyl 2bromoacetate
    • methyl bromo-acetate
    • BrCH2COOMe
    • 1-Methyl bromoacetate
    • 2-bromomethyl acetate
    • BrCH2COOCH3
    • methyl 2-bromo-acetate
    • Methyl alphabromoacetate
    • bromoacetic methyl ester
    • methyl 2-bromanylethanoate
    • Methyl 2-Bromoacetate-d2
    • Methyl bromoacetate, 97%
    • bromoacetic acid methylester
    • bromoaceticacid methyl ester
    • WLN: E1VO1
    • SCHEMBL26568
    • bromo acetic acid methyl ester
    • METHYLALPHA-BROMOACETATE
    • DTXCID2031322
    • 2-bromo-acetic acid methyl ester
    • Acetic acid, bromo, methyl ester
    • NSC2642
    • monobromo acetic acid methyl ester
    • Acetic acid, 2bromo, methyl ester
    • BCP06456
    • MFCD00000189
    • MFCD00190481
    • AKOS009158462
    • FM33568
    • AS-18626
    • SY338739
    • Methyl bromoacetate [UN2643] [Poison]
    • B0533
    • NS00001451
    • EN300-59820
    • A845577
    • Q27894374
    • F2190-0277
    • 202-499-2

  • Applications

    Methyl bromoacetate (CAS 96-32-2) is a reactive alpha-halo ester that serves as a versatile building block in organic synthesis. In industrial contexts it functions as an intermediate for pharmaceutical and agrochemical production, enabling the introduction of the methyl ester and bromomethyl functionality for subsequent substitutions. It is commonly used to prepare beta-keto esters and malonate-type intermediates, and to furnish amino acid derivatives or other functionalized esters. In polymer and coating chemistry it can act as a precursor for functional monomers or crosslinking agents, with the bromomethyl group enabling further functionalization. As a general alkylating agent and reactive precursor, its use is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 99.02
    methanol 117.38
    isopropanol 71.59
    water 17.37
    ethyl acetate 103.65
    n-propanol 74.05
    acetone 192.47
    n-butanol 69.44
    acetonitrile 182.97
    DMF 220.33
    toluene 65.48
    isobutanol 58.92
    1,4-dioxane 218.78
    methyl acetate 127.88
    THF 214.08
    2-butanone 121.56
    n-pentanol 61.31
    sec-butanol 70.49
    n-hexane 18.24
    ethylene glycol 51.18
    NMP 316.24
    cyclohexane 34.3
    DMSO 279.62
    n-butyl acetate 56.94
    n-octanol 40.91
    chloroform 234.13
    n-propyl acetate 71.21
    acetic acid 172.65
    dichloromethane 242.82
    cyclohexanone 146.61
    propylene glycol 33.21
    isopropyl acetate 64.92
    DMAc 273.74
    2-ethoxyethanol 138.58
    isopentanol 60.96
    n-heptane 19.22
    ethyl formate 82.8
    1,2-dichloroethane 144.41
    n-hexanol 46.0
    2-methoxyethanol 181.56
    isobutyl acetate 45.44
    tetrachloromethane 58.72
    n-pentyl acetate 49.11
    transcutol 256.85
    n-heptanol 33.29
    ethylbenzene 40.37
    MIBK 62.5
    2-propoxyethanol 98.23
    tert-butanol 93.66
    MTBE 89.5
    2-butoxyethanol 71.67
    propionic acid 76.37
    o-xylene 63.48
    formic acid 112.93
    diethyl ether 116.77
    m-xylene 50.91
    p-xylene 54.51
    chlorobenzene 80.13
    dimethyl carbonate 52.19
    n-octane 9.33
    formamide 167.5
    cyclopentanone 175.3
    2-pentanone 93.18
    anisole 96.19
    cyclopentyl methyl ether 122.59
    gamma-butyrolactone 185.47
    1-methoxy-2-propanol 111.84
    pyridine 173.47
    3-pentanone 95.29
    furfural 229.91
    n-dodecane 8.14
    diethylene glycol 106.12
    diisopropyl ether 41.81
    tert-amyl alcohol 87.47
    acetylacetone 118.2
    n-hexadecane 9.08
    acetophenone 96.8
    methyl propionate 89.88
    isopentyl acetate 49.78
    trichloroethylene 234.12
    n-nonanol 38.99
    cyclohexanol 87.4
    benzyl alcohol 79.4
    2-ethylhexanol 39.42
    isooctanol 31.03
    dipropyl ether 62.01
    1,2-dichlorobenzene 79.61
    ethyl lactate 43.02
    propylene carbonate 91.94
    n-methylformamide 124.28
    2-pentanol 55.14
    n-pentane 23.95
    1-propoxy-2-propanol 69.14
    1-methoxy-2-propyl acetate 65.15
    2-(2-methoxypropoxy) propanol 91.08
    mesitylene 35.08
    ε-caprolactone 121.81
    p-cymene 31.86
    epichlorohydrin 203.46
    1,1,1-trichloroethane 130.78
    2-aminoethanol 72.48
    morpholine-4-carbaldehyde 269.26
    sulfolane 216.73
    2,2,4-trimethylpentane 14.48
    2-methyltetrahydrofuran 179.49
    n-hexyl acetate 60.83
    isooctane 7.99
    2-(2-butoxyethoxy)ethanol 109.1
    sec-butyl acetate 50.8
    tert-butyl acetate 65.45
    decalin 17.04
    glycerin 65.35
    diglyme 201.69
    acrylic acid 90.78
    isopropyl myristate 34.66
    n-butyric acid 79.99
    acetyl acetate 78.75
    di(2-ethylhexyl) phthalate 38.52
    ethyl propionate 70.02
    nitromethane 292.99
    1,2-diethoxyethane 97.8
    benzonitrile 95.89
    trioctyl phosphate 27.13
    1-bromopropane 90.68
    gamma-valerolactone 217.14
    n-decanol 31.92
    triethyl phosphate 40.29
    4-methyl-2-pentanol 35.13
    propionitrile 100.92
    vinylene carbonate 94.41
    1,1,2-trichlorotrifluoroethane 179.05
    DMS 55.94
    cumene 32.71
    2-octanol 29.51
    2-hexanone 76.73
    octyl acetate 41.64
    limonene 45.49
    1,2-dimethoxyethane 222.09
    ethyl orthosilicate 40.68
    tributyl phosphate 30.23
    diacetone alcohol 80.43
    N,N-dimethylaniline 85.34
    acrylonitrile 118.12
    aniline 91.13
    1,3-propanediol 83.95
    bromobenzene 75.21
    dibromomethane 161.35
    1,1,2,2-tetrachloroethane 187.49
    2-methyl-cyclohexyl acetate 53.54
    tetrabutyl urea 47.19
    diisobutyl methanol 29.92
    2-phenylethanol 58.19
    styrene 51.27
    dioctyl adipate 53.85
    dimethyl sulfate 91.6
    ethyl butyrate 64.07
    methyl lactate 55.06
    butyl lactate 41.16
    diethyl carbonate 47.63
    propanediol butyl ether 61.03
    triethyl orthoformate 51.46
    p-tert-butyltoluene 29.99
    methyl 4-tert-butylbenzoate 77.67
    morpholine 219.19
    tert-butylamine 66.84
    n-dodecanol 26.94
    dimethoxymethane 149.42
    ethylene carbonate 74.69
    cyrene 106.58
    2-ethoxyethyl acetate 71.11
    2-ethylhexyl acetate 44.65
    1,2,4-trichlorobenzene 99.89
    4-methylpyridine 155.83
    dibutyl ether 51.1
    2,6-dimethyl-4-heptanol 29.92
    DEF 140.3
    dimethyl isosorbide 127.99
    tetrachloroethylene 142.83
    eugenol 79.2
    triacetin 77.31
    span 80 72.46
    1,4-butanediol 49.79
    1,1-dichloroethane 130.12
    2-methyl-1-pentanol 60.9
    methyl formate 110.97
    2-methyl-1-butanol 60.93
    n-decane 12.37
    butyronitrile 98.57
    3,7-dimethyl-1-octanol 40.66
    1-chlorooctane 32.43
    1-chlorotetradecane 16.78
    n-nonane 12.0
    undecane 9.76
    tert-butylcyclohexane 14.34
    cyclooctane 14.86
    cyclopentanol 93.75
    tetrahydropyran 149.92
    tert-amyl methyl ether 86.23
    2,5,8-trioxanonane 158.7
    1-hexene 40.32
    2-isopropoxyethanol 98.24
    2,2,2-trifluoroethanol 110.11
    methyl butyrate 80.28

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction